sorafenib

Ligand id: 5711

Name: sorafenib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 92.35
Molecular weight 464.09
XLogP 5.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2005), EMA (2006))
IUPAC Name
4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide
International Nonproprietary Names
INN number INN
8234 sorafenib
Synonyms
BAY 43-9006 | Nexavar®
Database Links
CAS Registry No. 284461-73-0
ChEMBL Ligand CHEMBL1336
DrugBank Ligand DB00398
PubChem CID 216239
RCSB PDB Ligand BAX
Search Google for chemical match using the InChIKey MLDQJTXFUGDVEO-UHFFFAOYSA-N
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Search PubMed clinical trials sorafenib
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Search UniChem for chemical match using the InChIKey MLDQJTXFUGDVEO-UHFFFAOYSA-N
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SynPHARM 81311 (in complex with B-Raf proto-oncogene, serine/threonine kinase)
81175 (in complex with kinase insert domain receptor)
81305 (in complex with kinase insert domain receptor)
Wikipedia Sorafenib
Comments
Sorafenib is a broad spectrum Type-2 kinase inhibitor targeting VEGFR2, VEGFR3, PDGFRβ, Flt3, and KIT and non-receptor kinases RAF1 and BRAF [6].